Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / molssi-seamm/seamm_ff_util issues and pull requests
#65 - Support for local forcefield files
Pull Request -
State: closed - Opened by paulsaxe 5 months ago
Labels: enhancement
#65 - Support for local forcefield files
Pull Request -
State: closed - Opened by paulsaxe 5 months ago
Labels: enhancement
#64 - Added tabulated angle potentials
Pull Request -
State: closed - Opened by paulsaxe over 1 year ago
- 1 comment
Labels: enhancement
#64 - Added tabulated angle potentials
Pull Request -
State: closed - Opened by paulsaxe over 1 year ago
- 1 comment
Labels: enhancement
#63 - Added support for Buckingham potentials
Pull Request -
State: closed - Opened by paulsaxe over 1 year ago
- 1 comment
Labels: enhancement
#63 - Added support for Buckingham potentials
Pull Request -
State: closed - Opened by paulsaxe over 1 year ago
- 1 comment
Labels: enhancement
#62 - Added molecule id for atoms, for LAMMPS
Pull Request -
State: closed - Opened by paulsaxe over 1 year ago
- 1 comment
Labels: enhancement
#62 - Added molecule id for atoms, for LAMMPS
Pull Request -
State: closed - Opened by paulsaxe over 1 year ago
- 1 comment
Labels: enhancement
#61 - Switching to new style of documentation.
Pull Request -
State: closed - Opened by paulsaxe almost 2 years ago
Labels: documentation
#61 - Switching to new style of documentation.
Pull Request -
State: closed - Opened by paulsaxe almost 2 years ago
Labels: documentation
#60 - Add CodeQL workflow for GitHub code scanning
Pull Request -
State: closed - Opened by lgtm-com[bot] almost 2 years ago
- 1 comment
#60 - Add CodeQL workflow for GitHub code scanning
Pull Request -
State: closed - Opened by lgtm-com[bot] almost 2 years ago
- 1 comment
#59 - Fixed bug with atom typing due to limit in matches.
Pull Request -
State: closed - Opened by paulsaxe over 2 years ago
Labels: bug
#59 - Fixed bug with atom typing due to limit in matches.
Pull Request -
State: closed - Opened by paulsaxe over 2 years ago
Labels: bug
#58 - Switched to directly using RDKit
Pull Request -
State: closed - Opened by paulsaxe almost 3 years ago
- 1 comment
Labels: bug
#58 - Switched to directly using RDKit
Pull Request -
State: closed - Opened by paulsaxe almost 3 years ago
- 1 comment
Labels: bug
#57 - Scheduled weekly dependency update for week 05
Pull Request -
State: closed - Opened by pyup-bot almost 3 years ago
#57 - Scheduled weekly dependency update for week 05
Pull Request -
State: closed - Opened by pyup-bot almost 3 years ago
#56 - Scheduled weekly dependency update for week 04
Pull Request -
State: closed - Opened by pyup-bot almost 3 years ago
- 2 comments
#56 - Scheduled weekly dependency update for week 04
Pull Request -
State: closed - Opened by pyup-bot almost 3 years ago
- 2 comments
#55 - Scheduled weekly dependency update for week 03
Pull Request -
State: closed - Opened by pyup-bot almost 3 years ago
- 2 comments
#55 - Scheduled weekly dependency update for week 03
Pull Request -
State: closed - Opened by pyup-bot almost 3 years ago
- 2 comments
#54 - Bump pillow from 8.3.2 to 9.0.0
Pull Request -
State: closed - Opened by dependabot[bot] almost 3 years ago
- 2 comments
Labels: dependencies
#54 - Bump pillow from 8.3.2 to 9.0.0
Pull Request -
State: closed - Opened by dependabot[bot] almost 3 years ago
- 2 comments
Labels: dependencies
#53 - Scheduled weekly dependency update for week 41
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#53 - Scheduled weekly dependency update for week 41
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#52 - Scheduled weekly dependency update for week 40
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#52 - Scheduled weekly dependency update for week 40
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#51 - Scheduled weekly dependency update for week 39
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#51 - Scheduled weekly dependency update for week 39
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#50 - Scheduled weekly dependency update for week 38
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#50 - Scheduled weekly dependency update for week 38
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#49 - Scheduled weekly dependency update for week 37
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#49 - Scheduled weekly dependency update for week 37
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#48 - Bump pillow from 8.1.2 to 8.3.2
Pull Request -
State: closed - Opened by dependabot[bot] about 3 years ago
- 1 comment
Labels: dependencies
#48 - Bump pillow from 8.1.2 to 8.3.2
Pull Request -
State: closed - Opened by dependabot[bot] about 3 years ago
- 1 comment
Labels: dependencies
#47 - Scheduled weekly dependency update for week 36
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#47 - Scheduled weekly dependency update for week 36
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#46 - Scheduled weekly dependency update for week 35
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#46 - Scheduled weekly dependency update for week 35
Pull Request -
State: closed - Opened by pyup-bot about 3 years ago
- 2 comments
#45 - Scheduled weekly dependency update for week 34
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#45 - Scheduled weekly dependency update for week 34
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#44 - Scheduled weekly dependency update for week 33
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#44 - Scheduled weekly dependency update for week 33
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#43 - Scheduled weekly dependency update for week 32
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#43 - Scheduled weekly dependency update for week 32
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#42 - Scheduled weekly dependency update for week 31
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#42 - Scheduled weekly dependency update for week 31
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#41 - Scheduled weekly dependency update for week 30
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#41 - Scheduled weekly dependency update for week 30
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#40 - Scheduled weekly dependency update for week 29
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#40 - Scheduled weekly dependency update for week 29
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#39 - Scheduled weekly dependency update for week 28
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#39 - Scheduled weekly dependency update for week 28
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#38 - Scheduled weekly dependency update for week 27
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#38 - Scheduled weekly dependency update for week 27
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#37 - Scheduled weekly dependency update for week 26
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#37 - Scheduled weekly dependency update for week 26
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#36 - Scheduled weekly dependency update for week 25
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#36 - Scheduled weekly dependency update for week 25
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#35 - Scheduled weekly dependency update for week 24
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#35 - Scheduled weekly dependency update for week 24
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#34 - Bump pillow from 8.1.2 to 8.2.0
Pull Request -
State: closed - Opened by dependabot[bot] over 3 years ago
- 2 comments
Labels: dependencies
#34 - Bump pillow from 8.1.2 to 8.2.0
Pull Request -
State: closed - Opened by dependabot[bot] over 3 years ago
- 2 comments
Labels: dependencies
#33 - Scheduled weekly dependency update for week 23
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 1 comment
#33 - Scheduled weekly dependency update for week 23
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 1 comment
#32 - Internal Release for conda-forge build
Pull Request -
State: closed - Opened by seamm over 3 years ago
- 1 comment
#32 - Internal Release for conda-forge build
Pull Request -
State: closed - Opened by seamm over 3 years ago
- 1 comment
#31 - Scheduled weekly dependency update for week 18
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 1 comment
#31 - Scheduled weekly dependency update for week 18
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 1 comment
#30 - Scheduled weekly dependency update for week 17
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#30 - Scheduled weekly dependency update for week 17
Pull Request -
State: closed - Opened by pyup-bot over 3 years ago
- 2 comments
#29 - Bump pillow from 7.2.0 to 8.1.1
Pull Request -
State: closed - Opened by dependabot[bot] over 3 years ago
- 2 comments
Labels: dependencies
#29 - Bump pillow from 7.2.0 to 8.1.1
Pull Request -
State: closed - Opened by dependabot[bot] over 3 years ago
- 2 comments
Labels: dependencies
#28 - Small upgrades and cleaning up
Pull Request -
State: closed - Opened by paulsaxe almost 4 years ago
- 2 comments
#28 - Small upgrades and cleaning up
Pull Request -
State: closed - Opened by paulsaxe almost 4 years ago
- 2 comments
#27 - Moved setting the atom charges to forcefield_step.
Pull Request -
State: closed - Opened by seamm about 4 years ago
Labels: bug
#27 - Moved setting the atom charges to forcefield_step.
Pull Request -
State: closed - Opened by seamm about 4 years ago
Labels: bug
#26 - Fixing bug introduced by default of fractional coordinates.
Pull Request -
State: closed - Opened by seamm about 4 years ago
#26 - Fixing bug introduced by default of fractional coordinates.
Pull Request -
State: closed - Opened by seamm about 4 years ago
#25 - Changes for the new system classes, and moving forcefields to a global variable rather than global data structure.
Pull Request -
State: closed - Opened by paulsaxe about 4 years ago
#25 - Changes for the new system classes, and moving forcefields to a global variable rather than global data structure.
Pull Request -
State: closed - Opened by paulsaxe about 4 years ago
#24 - Fixed bug in debug printing (!!!) and added a bit more debug printing.
Pull Request -
State: closed - Opened by paulsaxe over 4 years ago
- 1 comment
#24 - Fixed bug in debug printing (!!!) and added a bit more debug printing.
Pull Request -
State: closed - Opened by paulsaxe over 4 years ago
- 1 comment
#23 - Scheduled weekly dependency update for week 26
Pull Request -
State: closed - Opened by pyup-bot over 4 years ago
- 1 comment
#23 - Scheduled weekly dependency update for week 26
Pull Request -
State: closed - Opened by pyup-bot over 4 years ago
- 1 comment
#22 - Bugfix: bug introduced in bond increments for PCFF
Pull Request -
State: closed - Opened by paulsaxe over 4 years ago
- 1 comment
Labels: bug
#22 - Bugfix: bug introduced in bond increments for PCFF
Pull Request -
State: closed - Opened by paulsaxe over 4 years ago
- 1 comment
Labels: bug
#21 - Adding LJ 6-12 potential in support of Eliseo's testing of metadynamics
Pull Request -
State: closed - Opened by paulsaxe over 4 years ago
- 1 comment
#21 - Adding LJ 6-12 potential in support of Eliseo's testing of metadynamics
Pull Request -
State: closed - Opened by paulsaxe over 4 years ago
- 1 comment
#20 - Pin pip to latest version 20.0.1
Pull Request -
State: closed - Opened by pyup-bot almost 5 years ago
#19 - Pin pytest to latest version 5.3.4
Pull Request -
State: closed - Opened by pyup-bot almost 5 years ago
- 1 comment
#19 - Pin pytest to latest version 5.3.4
Pull Request -
State: closed - Opened by pyup-bot almost 5 years ago
- 1 comment
#18 - Pin pip to latest version 20.0
Pull Request -
State: closed - Opened by pyup-bot almost 5 years ago
- 1 comment
#18 - Pin pip to latest version 20.0
Pull Request -
State: closed - Opened by pyup-bot almost 5 years ago
- 1 comment
#17 - Pin pytest-runner to latest version 5.2
Pull Request -
State: closed - Opened by pyup-bot almost 5 years ago
- 1 comment
#17 - Pin pytest-runner to latest version 5.2
Pull Request -
State: closed - Opened by pyup-bot almost 5 years ago
- 1 comment
#16 - Pin pytest to latest version 5.3.3
Pull Request -
State: closed - Opened by pyup-bot almost 5 years ago
- 1 comment
#16 - Pin pytest to latest version 5.3.3
Pull Request -
State: closed - Opened by pyup-bot almost 5 years ago
- 1 comment
#15 - Pin cryptography to latest version 2.8
Pull Request -
State: closed - Opened by pyup-bot almost 5 years ago
- 1 comment